CID 11040985

2-ethoxy-4,6-difluoropyrimidine

Structural Information

Molecular Formula
C6H6F2N2O
SMILES
CCOC1=NC(=CC(=N1)F)F
InChI
InChI=1S/C6H6F2N2O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3
InChIKey
SGVUAJWRAOSPNC-UHFFFAOYSA-N
Compound name
2-ethoxy-4,6-difluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

160.04482 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.052096 126.8
[M+Na]+ 183.034038 137.5
[M-H]- 159.037544 125.7
[M+NH4]+ 178.078643 145.4
[M+K]+ 199.007978 135.7
[M+H-H2O]+ 143.042080 118.2
[M+HCOO]- 205.043021 147.8
[M+CH3COO]- 219.058671 177.4
[M+Na-2H]- 181.019486 134.1
[M]+ 160.04427142 126.6
[M]- 160.04536858 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe